ChemicalBook--->CAS DataBase List--->171335-80-1

171335-80-1

171335-80-1 Structure

171335-80-1 Structure
IdentificationBack Directory
[Name]

Exatecan
[CAS]

171335-80-1
[Synonyms]

CS-147
DX 8951
Exatecan
Exatecan Impurity
exatecan alideximer
(1S,9S)-1-Amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10H,13H-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione
10H,13H-Benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S,9S)-
10H,13H-BENZO[DE]PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLINE-10,13-DIONE, 1-AMINO-9-ETHYL-5-FLUORO-1,2,3,9,12,15-HEXAHYDRO-9-HYDROXY-4-METHYL-, (1S,9S)-, MONOMETHANESULFONATE (SALT)
[Molecular Formula]

C24H22FN3O4
[MDL Number]

MFCD00926120
[MOL File]

171335-80-1.mol
[Molecular Weight]

435.45
Chemical PropertiesBack Directory
[Boiling point ]

818.4±65.0 °C(Predicted)
[density ]

1.53±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C,protect from light
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

11.19±0.40(Predicted)
[color ]

Off-white to gray
[InChIKey]

ZVYVPGLRVWUPMP-FYSMJZIKSA-N
[SMILES]

N1C2C3=C(CC[C@H](N)C3=C3CN4C(C=13)=CC1[C@](CC)(O)C(=O)OCC=1C4=O)C(C)=C(F)C=2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[RIDADR ]

UN2811
[WGK Germany ]

WGK 3
[HazardClass ]

6.1
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 2 Oral
Muta. 1B
Repr. 1B
Hazard InformationBack Directory
[Description]

Exatecan is a hexacyclic chemical compound analogous to camptothecin and used as a payload in ADC research. Exatecan mesylate is used as an inhibitor of DNA topoisomerase I, which plays a key role in DNA replication, transcription, and recombination.
[Definition]

ChEBI: Exatecan is a pyranoindolizinoquinoline.
[Biological Activity]

Exatecan (DX-8951) is a DNA topoisomerase I (topoisomerase I) inhibitor with IC50 of 2.2 μM (0.975 μg/mL) for cancer research.
[in vitro]

Exatecan is a potent topoisomerase I inhibitor, with an IC 50 of 0.975 μg/mL. Exatecan Mesylate (DX-8951f) significantly inhibits the proliferation of several cancer cell lines, with mean GI 50 s of 2.02 ng/mL, 2.92 ng/mL, 1.53 ng/mL, and 0.877 ng/mL for breast cancer cells, colon cancer cells, stomach cancer cells and lung cancer cells, respectively. Exatecan Mesylate (DX-8951f) displays cytotoxic activities against PC-6, PC-6/SN2-5 cells, with mean GI 50 s of 0.186 and 0.395 ng/mL, respctively. Exatecan Mesylate (34 nM) stabilizes DNA-TopoI complexes in PC-6 and PC-6/SN2-5 cells.
[in vivo]

Exatecan Mesylate (DX-8951f, 3.325-50 mg/kg, i.v.) exhibits antitumor activities in the mice model bearing tumor cells, without toxic death. Exatecan Mesylate (15, 25 mg/kg, i.v.) hightly inhibits MIA-PaCa, BxPC-3 primary tumor growth in the MIA-PaCa-2 early-stage model and early-stage model of BxPC-3. Exatecan Mesylate (15, 25 mg/kg, i.v.) also significantly suppresses BxPC-3 lymphatic metastasis and completely eliminates lung metastasis in the BxPC-3 late-stage cancer model.
Spectrum DetailBack Directory
[Spectrum Detail]

Exatecan(171335-80-1)1HNMR
171335-80-1 suppliers list
Company Name: Shanghai Tekanbio Pharm-Tech Co., Ltd.  Gold
Telephone: 021-50896099 18017206244
Website: http://www.tekanbio.com
Company Name: WuYan Pharmaceutical Technology (Shanghai) Co., Ltd.  Gold
Telephone: 18621565901
Website: www.wuyanpharm.com
Company Name: YJ Pharma  Gold
Telephone: 13962794339
Website:
Company Name: Shanghai Boyle Chemical Co., Ltd.  
Telephone: 021-50182298 021-50180596
Website: www.boylechem.com
Company Name: Chemvon Biotechnology Co., Ltd  
Telephone: 021-50790412
Website: http://www.chemvon.com
Company Name: Adamas Reagent, Ltd.  
Telephone: 4006009262 13023226327
Website: www.tansoole.com
Company Name: Shanghai Sphchem Co., Ltd.  
Telephone: 021-56491756 13512199871
Website: http://www.panhongchem.com
Company Name: Beijing HuaMeiHuLiBiological Chemical   
Telephone: 010-56205725
Website: www.huabeibiochem.com
Company Name: TargetMol Chemicals Inc.  
Telephone: 021-021-33632979 15002134094
Website: https://www.targetmol.cn/
Company Name: Quality Control Solutions Ltd.  
Telephone: 0755-66853366 13670046396
Website: www.qcsrm.com
Company Name: Finetech Industry Limited  
Telephone: 027-87465837 19945049750
Website: https://www.finetechchem.com/
Company Name: Shanghai Macklin Biochemical Co.,Ltd.  
Telephone: 15221275939 15221275939
Website: www.macklin.cn
Company Name: AdooQ Bioscience CHINA  
Telephone: 025-58849295
Website: http://www.adooq.cn
Company Name: Shanghai Biolang biotechnology Co.,Ltd  
Telephone: 17764003753
Website: www.chemicalbook.com/ShowSupplierProductsList16943/0_EN.htm
Company Name: Guangzhou Zhiya Chemdrugs Co.,Ltd  
Telephone: 18122150900
Website: http://www.tiewill.com
Company Name: Nanjing XiLang Chemical Products Co., Ltd.  
Telephone: 18936048580
Website: https://www.chemicalbook.com/ShowSupplierProductsList19187/0_EN.htm
Company Name: Shanghai YuanYe Biotechnology Co., Ltd.  
Telephone: 15026964105
Website: www.shyuanye.com
Company Name: ShangHai Biochempartner Co.,Ltd  
Telephone: 177-54423994 17754423994
Website: www.biochempartner.com
Tags:171335-80-1 Related Product Information
143390-89-0 119-36-8 36322-90-4 1914-99-4 86639-52-3 185304-42-1 78287-27-1 19685-09-7 185336-12-3 7689-03-4 947687-01-6 802277-44-7 181629-47-0 4897-50-1 946821-59-6 1255644-71-3 947687-02-7 1346597-39-4